SCHEMBL4720459

SCHEMBL4720459

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.40
F2 P00734 3/20 0.40
PLAU P00749 1/20 0.34
MAPT P10636 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4724946 0.93 TDP1 (0.39) F10F2MAPT
SCHEMBL14101733 0.90 F10 (0.38) F10F2MAPTSLC16A3SLC16A1
SCHEMBL4724420 0.90 P2RX7 (0.35) F10F2
SCHEMBL4724414 0.90 P2RX7 (0.35) F10F2
SCHEMBL4721394 0.90 F10 (0.33) F10F2
SCHEMBL4720841 0.90 F10 (0.35) F10
SCHEMBL4724669 0.90 MAPT (0.35) F10F2MAPT
SCHEMBL4720957 0.89 PDE4A (0.38) F10F2MAPT
SCHEMBL4721014 0.89 F10 (0.35) F10
SCHEMBL4722372 0.88 F10 (0.38) F10F2PLAUMAPTSLC16A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed